[4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone

C24H16F3NO2 — CID 11269781

IUPAC[4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
SMILESCOc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C24H16F3NO2/c1-30-17-10-5-9-16(13-17)21-18-11-6-12-20(24(25,26)27)22(18)28-14-19(21)23(29)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyRFHQJVYQMBCDPY-UHFFFAOYSA-N
MW407.39 g/mol
LogP6.16
Rot. Bonds4

About [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone

[4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone (PubChem CID 11269781) has the molecular formula C24H16F3NO2 and a molecular weight of 407.39 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
PubChem CID11269781
Molecular FormulaC24H16F3NO2
Molecular Weight407.39 g/mol
Exact Mass407.11
IUPAC Name[4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
SMILESCOc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C24H16F3NO2/c1-30-17-10-5-9-16(13-17)21-18-11-6-12-20(24(25,26)27)22(18)28-14-19(21)23(29)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyRFHQJVYQMBCDPY-UHFFFAOYSA-N
XLogP6.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.39
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The IUPAC name of [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone (CID 11269781) is [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The canonical SMILES for [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone is COc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The InChIKey is RFHQJVYQMBCDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO2/c1-30-17-10-5-9-16(13-17)21-18-11-6-12-20(24(25,26)27)22(18)28-14-19(21)23(29)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
[4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone has a molecular weight of 407.39 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 11269781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).